CID 170919775

C6H4Na2O6 — CID 170919775

IUPAC—
SMILESO=C1C(=O)C(=O)C(O)C(O)C1=O.[Na].[Na]
InChIInChI=1S/C6H4O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-2,7-8H;;
InChIKeyYSZAKOFNZYKAQH-UHFFFAOYSA-N
MW218.07 g/mol
LogP-3.76
Rot. Bonds

About CID 170919775

CID 170919775 (PubChem CID 170919775) has the molecular formula C6H4Na2O6 and a molecular weight of 218.07 g/mol.

Molecular Properties

Compound NameCID 170919775
PubChem CID170919775
Molecular FormulaC6H4Na2O6
Molecular Weight218.07 g/mol
Exact Mass217.98
IUPAC Name—
SMILESO=C1C(=O)C(=O)C(O)C(O)C1=O.[Na].[Na]
InChIInChI=1S/C6H4O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-2,7-8H;;
InChIKeyYSZAKOFNZYKAQH-UHFFFAOYSA-N
XLogP-3.76
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 5-3.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170919775?
The IUPAC name of CID 170919775 (CID 170919775) is not available.
What is the SMILES notation for CID 170919775?
The canonical SMILES for CID 170919775 is O=C1C(=O)C(=O)C(O)C(O)C1=O.[Na].[Na].
What is the InChIKey of CID 170919775?
The InChIKey is YSZAKOFNZYKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-2,7-8H;;.
What are the key properties of CID 170919775?
CID 170919775 has a molecular weight of 218.07 g/mol, XLogP of -3.76, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170919775 is sourced from PubChem (CID 170919775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).